Identifying optimal catalyst materials for specific reactions is crucial to advance energy storage technologies and sustainable chemical processes. To screen catalysts, scientists must understand ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...

Classical machine learning (ML) is a powerful subset of artificial intelligence. Machine learning has advanced from simple pattern recognition in the 1960s to today's advanced use of massive datasets ...

In a recent study published in Scientific Reports, researchers developed a machine learning-based heart disease prediction model (ML-HDPM) that uses various combinations of information and numerous ...